1ASV
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3AO1
| Fragment-based approach to the design of ligands targeting a novel site in HIV-1 integrase | 分子名称: | 1,3-benzodioxol-5-ol, CADMIUM ION, POL polyprotein, ... | 著者 | Wielens, J, Parker, M.W, Chalmers, D.K, Scanlon, M.J. | 登録日 | 2010-09-17 | 公開日 | 2011-03-09 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Fragment-based design of ligands targeting a novel site on the integrase enzyme of human immunodeficiency virus 1 Chemmedchem, 6, 2011
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1ASU
| AVIAN SARCOMA VIRUS INTEGRASE CATALYTIC CORE DOMAIN CRYSTALLIZED FROM 2% PEG 400, 2M AMMONIUM SULFATE, HEPES PH 7.5 | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, AVIAN SARCOMA VIRUS INTEGRASE | 著者 | Bujacz, G, Jaskolski, M, Alexandratos, J, Wlodawer, A. | 登録日 | 1995-08-25 | 公開日 | 1995-11-14 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | High-resolution structure of the catalytic domain of avian sarcoma virus integrase. J.Mol.Biol., 253, 1995
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3AO5
| Fragment-based approach to the design of ligands targeting a novel site on HIV-1 integrase | 分子名称: | 5-(7-bromo-1,3-benzodioxol-5-yl)-1-methyl-1H-pyrazol-3-amine, CADMIUM ION, CHLORIDE ION, ... | 著者 | Wielens, J, Headey, S.J, Parker, M.W, Chalmers, D.K, Scanlon, M.J. | 登録日 | 2010-09-21 | 公開日 | 2011-03-09 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Fragment-based design of ligands targeting a novel site on the integrase enzyme of human immunodeficiency virus 1 Chemmedchem, 6, 2011
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1BIZ
| HIV-1 INTEGRASE CORE DOMAIN | 分子名称: | CACODYLATE ION, HIV-1 INTEGRASE | 著者 | Goldgur, Y, Dyda, F, Hickman, A.B, Jenkins, T.M, Craigie, R, Davies, D.R. | 登録日 | 1998-06-21 | 公開日 | 1998-08-19 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Three new structures of the core domain of HIV-1 integrase: an active site that binds magnesium. Proc.Natl.Acad.Sci.USA, 95, 1998
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1BL3
| CATALYTIC DOMAIN OF HIV-1 INTEGRASE | 分子名称: | INTEGRASE, MAGNESIUM ION | 著者 | Maignan, S, Guilloteau, J.P, Zhou-Liu, Q, Clement-Mella, C, Mikol, V. | 登録日 | 1998-07-23 | 公開日 | 1998-09-30 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Crystal structures of the catalytic domain of HIV-1 integrase free and complexed with its metal cofactor: high level of similarity of the active site with other viral integrases. J.Mol.Biol., 282, 1998
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3NF9
| Structural basis for a new mechanism of inhibition of HIV integrase identified by fragment screening and structure based design | 分子名称: | 1,2-ETHANEDIOL, 5-[(6-chloro-2-oxo-2,3-dihydro-1H-indol-1-yl)methyl]-1,3-benzodioxole-4-carboxylic acid, ACETIC ACID, ... | 著者 | Peat, T.S, Newman, J, Deadman, J.J, Rhodes, D. | 登録日 | 2010-06-10 | 公開日 | 2011-04-27 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Structural basis for a new mechanism of inhibition of HIV-1 integrase identified by fragment screening and structure-based design ANTIVIR.CHEM.CHEMOTHER., 21, 2011
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3O4N
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3O4Q
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3OVN
| Fragment-based approach to the design of ligands targeting a novel site on HIV-1 integrase | 分子名称: | 1-methyl-3-(thiophen-2-yl)-1H-pyrazol-5-amine, CADMIUM ION, POL polyprotein, ... | 著者 | Wielens, J, Chalmers, D.K, Headey, S.J, Deadman, J.J, Rhodes, D.K, Parker, M.W, Scanlon, M.J. | 登録日 | 2010-09-16 | 公開日 | 2011-03-09 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Fragment-based design of ligands targeting a novel site on the integrase enzyme of human immunodeficiency virus 1 Chemmedchem, 6, 2011
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3NF6
| Structural basis for a new mechanism of inhibition of HIV integrase identified by fragment screening and structure based design | 分子名称: | 1,2-ETHANEDIOL, 5-[(2-oxo-2,3-dihydro-1H-indol-1-yl)methyl]-1,3-benzodioxole-4-carboxylic acid, ACETIC ACID, ... | 著者 | Peat, T.S, Newman, J, Deadman, J.J, Rhodes, D. | 登録日 | 2010-06-09 | 公開日 | 2011-04-27 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structural basis for a new mechanism of inhibition of HIV-1 integrase identified by fragment screening and structure-based design ANTIVIR.CHEM.CHEMOTHER., 21, 2011
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3NF7
| Structural basis for a new mechanism of inhibition of HIV integrase identified by fragment screening and structure based design | 分子名称: | 1,2-ETHANEDIOL, 5-[(5-chloro-2-oxo-2,3-dihydro-1H-indol-1-yl)methyl]-1,3-benzodioxole-4-carboxylic acid, ACETIC ACID, ... | 著者 | Peat, T.S, Newman, J, Deadman, J.J, Rhodes, D. | 登録日 | 2010-06-09 | 公開日 | 2011-04-27 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structural basis for a new mechanism of inhibition of HIV-1 integrase identified by fragment screening and structure-based design ANTIVIR.CHEM.CHEMOTHER., 21, 2011
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3NF8
| Structural basis for a new mechanism of inhibition of HIV integrase identified by fragment screening and structure based design | 分子名称: | 6-[(5-chloro-2-oxo-2,3-dihydro-1H-indol-1-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid, ACETIC ACID, Integrase, ... | 著者 | Peat, T.S, Newman, J, Deadman, J.J, Rhodes, D. | 登録日 | 2010-06-09 | 公開日 | 2011-04-27 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structural basis for a new mechanism of inhibition of HIV-1 integrase identified by fragment screening and structure-based design ANTIVIR.CHEM.CHEMOTHER., 21, 2011
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3NFA
| Structural basis for a new mechanism of inhibition of HIV integrase identified by fragment screening and structure based design | 分子名称: | 6-[(5-bromo-2,3-dioxo-2,3-dihydro-1H-indol-1-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid, ACETIC ACID, Integrase, ... | 著者 | Peat, T.S, Newman, J, Deadman, J.J, Rhodes, D. | 登録日 | 2010-06-10 | 公開日 | 2011-04-27 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Structural basis for a new mechanism of inhibition of HIV-1 integrase identified by fragment screening and structure-based design ANTIVIR.CHEM.CHEMOTHER., 21, 2011
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3VQ4
| Fragments bound to HIV-1 integrase | 分子名称: | (5-phenyl-1,2-oxazol-3-yl)methanol, CADMIUM ION, POL polyprotein, ... | 著者 | Wielens, J, Chalmers, D.K, Parker, M.W, Scanlon, M.J. | 登録日 | 2012-03-20 | 公開日 | 2013-01-30 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Parallel screening of low molecular weight fragment libraries: do differences in methodology affect hit identification? J Biomol Screen, 18, 2013
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3VQ6
| HIV-1 IN core domain in complex with (1-methyl-5-phenyl-1H-pyrazol-4-yl)methanol | 分子名称: | (1-methyl-5-phenyl-1H-pyrazol-4-yl)methanol, CADMIUM ION, POL polyprotein, ... | 著者 | Wielens, J, Chalmers, D.K, Parker, M.W, Scanlon, M.J. | 登録日 | 2012-03-20 | 公開日 | 2013-01-30 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Parallel screening of low molecular weight fragment libraries: do differences in methodology affect hit identification? J Biomol Screen, 18, 2013
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3VQC
| HIV-1 IN core domain in complex with (5-METHYL-3-PHENYL-1,2-OXAZOL-4-YL)METHANOL | 分子名称: | (5-methyl-3-phenyl-1,2-oxazol-4-yl)methanol, CADMIUM ION, POL polyprotein, ... | 著者 | Wielens, J, Chalmers, D.K, Parker, M.W, Scanlon, M.J. | 登録日 | 2012-03-21 | 公開日 | 2013-01-30 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Parallel screening of low molecular weight fragment libraries: do differences in methodology affect hit identification? J Biomol Screen, 18, 2013
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3VQE
| HIV-1 IN core domain in complex with [1-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]methanol | 分子名称: | CADMIUM ION, CHLORIDE ION, POL polyprotein, ... | 著者 | Wielens, J, Chalmers, D.K, Parker, M.W, Scanlon, M.J. | 登録日 | 2012-03-21 | 公開日 | 2013-01-30 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Parallel screening of low molecular weight fragment libraries: do differences in methodology affect hit identification? J Biomol Screen, 18, 2013
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3VQD
| HIV-1 IN core domain in complex with 5-methyl-3-phenyl-1,2-oxazole-4-carboxylic acid | 分子名称: | 5-methyl-3-phenyl-1,2-oxazole-4-carboxylic acid, CADMIUM ION, POL polyprotein, ... | 著者 | Wielens, J, Chalmers, D.K, Parker, M.W, Scanlon, M.J. | 登録日 | 2012-03-21 | 公開日 | 2013-01-30 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Parallel screening of low molecular weight fragment libraries: do differences in methodology affect hit identification? J Biomol Screen, 18, 2013
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3VQQ
| HIV-1 integrase core domain in complex with 2,1,3-benzothiadiazol-4-amine | 分子名称: | 2,1,3-benzothiadiazol-4-amine, CADMIUM ION, POL polyprotein, ... | 著者 | Wielens, J, Chalmers, D.K, Parker, M.W, Scanlon, M.J. | 登録日 | 2012-03-29 | 公開日 | 2013-01-30 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Parallel screening of low molecular weight fragment libraries: do differences in methodology affect hit identification? J Biomol Screen, 18, 2013
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3VQ9
| HIV-1 IN core domain in complex with 6-fluoro-1,3-benzothiazol-2-amine | 分子名称: | 6-fluoro-1,3-benzothiazol-2-amine, POL polyprotein | 著者 | Wielens, J, Chalmers, D.K, Parker, M.W, Scanlon, M.J. | 登録日 | 2012-03-20 | 公開日 | 2013-01-30 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Parallel screening of low molecular weight fragment libraries: do differences in methodology affect hit identification? J Biomol Screen, 18, 2013
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3VQP
| HIV-1 IN core domain in complex with 2,3-dihydro-1,4-benzodioxin-5-ylmethanol | 分子名称: | 2,3-dihydro-1,4-benzodioxin-5-ylmethanol, CADMIUM ION, CHLORIDE ION, ... | 著者 | Wielens, J, Chalmers, D.K, Parker, M.W, Scanlon, M.J. | 登録日 | 2012-03-29 | 公開日 | 2013-01-30 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Parallel screening of low molecular weight fragment libraries: do differences in methodology affect hit identification? J Biomol Screen, 18, 2013
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3VQB
| HIV-1 IN core domain in complex with 6-fluoro-4H-1,3-benzodioxine-8-carboxylic acid | 分子名称: | 6-fluoro-4H-1,3-benzodioxine-8-carboxylic acid, CADMIUM ION, POL polyprotein, ... | 著者 | Wielens, J, Chalmers, D.K, Parker, M.W, Scanlon, M.J. | 登録日 | 2012-03-21 | 公開日 | 2013-01-30 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Parallel screening of low molecular weight fragment libraries: do differences in methodology affect hit identification? J Biomol Screen, 18, 2013
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3VQ8
| HIV-1 IN core domain in complex with (3R)-3,4-dihydro-2H-chromen-3-ylmethanol | 分子名称: | (3R)-3,4-dihydro-2H-chromen-3-ylmethanol, CADMIUM ION, CHLORIDE ION, ... | 著者 | Wielens, J, Chalmers, D.K, Parker, M.W, Scanlon, M.J. | 登録日 | 2012-03-20 | 公開日 | 2013-01-30 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Parallel screening of low molecular weight fragment libraries: do differences in methodology affect hit identification? J Biomol Screen, 18, 2013
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3VQ7
| HIV-1 IN core domain in complex with 4-(1H-pyrrol-1-yl)aniline | 分子名称: | 4-(1H-pyrrol-1-yl)aniline, CADMIUM ION, POL polyprotein, ... | 著者 | Wielens, J, Chalmers, D.K, Parker, M.W, Scanlon, M.J. | 登録日 | 2012-03-20 | 公開日 | 2013-01-30 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | 主引用文献 | Parallel screening of low molecular weight fragment libraries: do differences in methodology affect hit identification? J Biomol Screen, 18, 2013
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